4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide

C15H15ClN2O3 — CID 102663136

IUPAC4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
SMILESCOc1ccc(N)cc1OCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-20-13-5-4-11(17)7-14(13)21-8-10-3-2-9(15(18)19)6-12(10)16/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyGKCIPWCXVNZPNS-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.61
Rot. Bonds5

About 4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide

4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide (PubChem CID 102663136) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
PubChem CID102663136
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
SMILESCOc1ccc(N)cc1OCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-20-13-5-4-11(17)7-14(13)21-8-10-3-2-9(15(18)19)6-12(10)16/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyGKCIPWCXVNZPNS-UHFFFAOYSA-N
XLogP2.61
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate
CID 102669562
4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
CID 106955508
3-[(2,4-dichlorophenyl)methoxy]-4-methoxybenzenecarbothioamide
CID 20991411
3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
CID 102670681
3-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305414
2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
CID 115460494
3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide
CID 43376560
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide?
The IUPAC name of 4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide (CID 102663136) is 4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide is COc1ccc(N)cc1OCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide?
The InChIKey is GKCIPWCXVNZPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-13-5-4-11(17)7-14(13)21-8-10-3-2-9(15(18)19)6-12(10)16/h2-7H,8,17H2,1H3,(H2,18,19).
What are the key properties of 4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide?
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide has a molecular weight of 306.75 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide is sourced from PubChem (CID 102663136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).